Geometry & MOs

Info

ID:	268254
PubChem CID:	103598593
Reduced:	SO2N3H13C14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	317.210327
ΔH_f, kcal/mol:	10.0
Dipole, Da:	2.12
IP(EA), eV:	-8.88(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-pyridin-4-ylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)NNC(=O)C=CC2=CC=CC=N2

DOS

IR

Vibrations